9-azidononan-1-amine

C9H20N4 — CID 122424851

IUPAC9-azidononan-1-amine
SMILES[N-]=[N+]=NCCCCCCCCCN
InChIInChI=1S/C9H20N4/c10-8-6-4-2-1-3-5-7-9-12-13-11/h1-10H2
InChIKeyTWUNRISDHVVMJG-UHFFFAOYSA-N
MW184.29 g/mol
LogP2.99
Rot. Bonds9

About 9-azidononan-1-amine

9-azidononan-1-amine (PubChem CID 122424851) has the molecular formula C9H20N4 and a molecular weight of 184.29 g/mol. Its IUPAC name is 9-azidononan-1-amine.

Molecular Properties

Compound Name9-azidononan-1-amine
PubChem CID122424851
Molecular FormulaC9H20N4
Molecular Weight184.29 g/mol
Exact Mass184.17
IUPAC Name9-azidononan-1-amine
SMILES[N-]=[N+]=NCCCCCCCCCN
InChIInChI=1S/C9H20N4/c10-8-6-4-2-1-3-5-7-9-12-13-11/h1-10H2
InChIKeyTWUNRISDHVVMJG-UHFFFAOYSA-N
XLogP2.99
TPSA74.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.29
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1,14-diazidotetradecane
CID 146463967
4-(4-azidobutoxy)butan-1-amine
CID 151331524
9-aminononanoic acid;9-azidononanoic acid
CID 159969853
1-azidotriacontane
CID 71752669
6-azidohexan-1-ol
CID 11051778
9-azidononane-1-thiol
CID 89455155
10-azidodecan-1-ol
CID 4641376
1-azidohexadecane
CID 11230945
8-azidooctan-1-ol
CID 11789665
N-(3-aminopropyl)-6-azidohexanamide
CID 151488540
1-azidooctane;hydrochloride
CID 175871639
2-[3-(3-azidopropoxy)propoxy]ethanamine
CID 168833008

Frequently Asked Questions

What is the IUPAC name of 9-azidononan-1-amine?
The IUPAC name of 9-azidononan-1-amine (CID 122424851) is 9-azidononan-1-amine.
What is the SMILES notation for 9-azidononan-1-amine?
The canonical SMILES for 9-azidononan-1-amine is [N-]=[N+]=NCCCCCCCCCN.
What is the InChIKey of 9-azidononan-1-amine?
The InChIKey is TWUNRISDHVVMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4/c10-8-6-4-2-1-3-5-7-9-12-13-11/h1-10H2.
What are the key properties of 9-azidononan-1-amine?
9-azidononan-1-amine has a molecular weight of 184.29 g/mol, XLogP of 2.99, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-azidononan-1-amine is sourced from PubChem (CID 122424851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).